N-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

C21H23ClN2O3 — CID 24791079

IUPACN-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2cccc(Cl)c2)CCC1=O
InChIInChI=1S/C21H23ClN2O3/c1-27-19-8-3-2-6-16(19)13-24-14-17(9-10-20(24)25)21(26)23-12-15-5-4-7-18(22)11-15/h2-8,11,17H,9-10,12-14H2,1H3,(H,23,26)
InChIKeyJCNFTXOPDVIHHD-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.40
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

N-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791079) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791079
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2cccc(Cl)c2)CCC1=O
InChIInChI=1S/C21H23ClN2O3/c1-27-19-8-3-2-6-16(19)13-24-14-17(9-10-20(24)25)21(26)23-12-15-5-4-7-18(22)11-15/h2-8,11,17H,9-10,12-14H2,1H3,(H,23,26)
InChIKeyJCNFTXOPDVIHHD-UHFFFAOYSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24791079) is N-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is COc1ccccc1CN1CC(C(=O)NCc2cccc(Cl)c2)CCC1=O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is JCNFTXOPDVIHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-27-19-8-3-2-6-16(19)13-24-14-17(9-10-20(24)25)21(26)23-12-15-5-4-7-18(22)11-15/h2-8,11,17H,9-10,12-14H2,1H3,(H,23,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).